6,6-Dimethyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester dihydrochloride

HCID 67237574

기본 정보

표준 SMILES
CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)cc1)CNC2(C)C.Cl.Cl
InChIKey
CYOCHODDOCKFFI-UHFFFAOYSA-N
분자식
C22H32Cl2N6O3
평균 분자량
499.4 g/mol
단동위원소 질량
498.1912943

이름 및 식별자

우선 이름
6,6-Dimethyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester dihydrochloride
IUPAC
ethyl 6,6-dimethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate;dihydrochloride

이름 및 동의어

SCHEMBL1985467CYOCHODDOCKFFI-UHFFFAOYSA-N6,6-Dimethyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester dihydrochloride6,6-dimethyl-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4hpyrrolo[3,4-c]pyrazole-2-carboxylic acid ethyl ester dihydrochloride

데이터베이스 식별자

PubChem CID
67237574

물성

구조 계산 물성

극성 표면적
91.7 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
33

관련 반응

4건

화합물 노트

불러오는 중…