4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
기본 정보
- CAS
1001343-34-5- 표준 SMILES
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(C)CC(=O)N2C- InChIKey
KZLQLABUFJNPSZ-UHFFFAOYSA-N- 분자식
- C28H39N7O3
- 평균 분자량
- 521.7 g/mol
- 단동위원소 질량
- 521.31143811
개요
4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide is a pyrimidodiazepine.
이름 및 식별자
- 우선 이름
- 4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
- IUPAC
- 4-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
- 영어명
- Benzamide, 4-[(9-cyclopentyl-6,7,8,9-tetrahydro-5,8-dimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-
- 분자식
- C28H39N7O3
- 분자량
- 521.65
이름 및 동의어
PLK1-IN-51001343-34-54-[(9-cyclopentyl-5,8-dimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamideSCHEMBL618594orb2565462SCHEMBL13870847CHEBI:91369KZLQLABUFJNPSZ-UHFFFAOYSA-NDTXSID501025959HMS3265M07HMS3265M08HMS3265N07
이름 더 보기
Benzamide, 4-[(9-cyclopentyl-6,7,8,9-tetrahydro-5,8-dimethyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-
HMS3265N08NPK76-II-72-1DA-66779HY-148974CS-0648876T87222BRD-A68739437-001-01-0Q27163235
데이터베이스 식별자
- CAS
1001343-34-5- PubChem CID
- 46843648
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 816
물리화학적 성질
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.08 · 14.08±0.20(Predicted)
관련 반응
1건
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