기본 정보
- CAS
2083618-79-3- 표준 SMILES
Cc1cc(NC(=O)c2nc3nc4c(c(=O)n3[nH]2)CCC4)c(C)cc1NC(=O)CCc1nnc(-c2ccccc2)o1- InChIKey
DWWDFNUIUZQWOP-UHFFFAOYSA-N- 분자식
- C28H26N8O4
- 평균 분자량
- 538.6 g/mol
이름 및 식별자
- 우선 이름
- N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- N-[2,5-dimethyl-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
- 영어명
- 1H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[2,5-dimethyl-4-[[1-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]phenyl]-5,6,7,8-tetrahydro-8-oxo-
- 분자식
- C28H26N8O4
- 분자량
- 538.56
이름 및 동의어
PDZ1i2083618-79-3N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamideN-[2,5-dimethyl-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamidePDZ1i?orb1686239SCHEMBL20160723EX-A5209AT44255DA-56661HY-124813CS-0087781
이름 더 보기
113B7N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[D][1,2,4]triazolo[1,5 -a]pyrimidine-2-carboxamide1H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[2,5-dimethyl-4-[[1-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]phenyl]-5,6,7,8-tetrahydro-8-oxo-
T63797
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.11 · 10.11±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사13 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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上海陶术生物科技股份有限公司13564774135 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
苏州优睿科化工医药科技有限公司15317229551 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
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