4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
기본 정보
- CAS
147056-64-2- 표준 SMILES
CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3ccc(N(CCCl)CCCl)cc3)cn2C)cn1C- InChIKey
DKABPCCFZSSDAH-UHFFFAOYSA-N- 분자식
- C25H33Cl2N9O3
- 평균 분자량
- 578.5 g/mol
- 단동위원소 질량
- 577.2083413
이름 및 식별자
- 우선 이름
- 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
- IUPAC
- 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
- 영어명
- 4-[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazole-2 -carbonyl]amino]-N-(2-dimethylaminoethyl)-1-methyl-imidazole-2-carboxa mide
- 분자식
- C25H33Cl2N9O3
- 분자량
- 578.49
이름 및 동의어
147056-64-24-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamideCHEMBL172446DTXSID601635844-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide4-{4-[Bis(2-chloroethyl)amino]benzamido}-N-(2-{[2-(dimethylamino)ethyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide4-[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazole-2 -carbonyl]amino]-N-(2-dimethylaminoethyl)-1-methyl-imidazole-2-carboxa mide1H-Imidazole-2-carboxamide, 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-
데이터베이스 식별자
- CAS
147056-64-2- PubChem CID
- 3025806
- DTXSID
DTXSID60163584
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 810
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