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

PDZ1i · 113B7 · 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 · 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-

https://huagongshe.com/ko/chemical/178762002

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 분자 구조식

식별자 및 물리적 특성

CAS No.	2083618-79-3
분자식	C28H26N8O4
평균 분자량	538.6 g/mol
SMILES	Cc1cc(NC(=O)c2nc3nc4c(c(=O)n3[nH]2)CCC4)c(C)cc1NC(=O)CCc1nnc(-c2ccccc2)o1
InChIKey	DWWDFNUIUZQWOP-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	2.4
극성 표면적	154
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
밀도	1.53±0.1 g/cm3(Predicted)
pKa(산도 계수)	10.11±0.70(Predicted)
물리적 상태	Solid
색상	White to off-white